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SHIFT=80 PULAY UHF PM7 Methyl gold(III) dichloride <Au-Cl> <><> <Au-C> <C-Au-Cl> GR=PW91D Au 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0 Cl 2.34482800 +1 0.0000000 +0 0.0000000 +0 1 0 0 Cl 2.35683158 +1 177.3280490 +0 0.0000000 +0 1 2 0 C 1.97315218 +1 93.0094330 +1 177.8873920 +1 1 2 3 H 1.10936721 +1 103.8584579 +1 0.4989165 +1 4 1 2 H 1.10855993 +1 102.8605589 +1 -120.1577715 +1 4 1 5 H 1.10852487 +1 102.9032350 +1 -119.6150016 +1 4 1 6